N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine

C10H15N3 — CID 63990208

IUPACN-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccncn1
InChIInChI=1S/C10H15N3/c1-3-5-9(12-4-2)10-6-7-11-8-13-10/h3,6-9,12H,1,4-5H2,2H3
InChIKeyRELPOAJWUJDKTH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine

N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine (PubChem CID 63990208) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
PubChem CID63990208
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccncn1
InChIInChI=1S/C10H15N3/c1-3-5-9(12-4-2)10-6-7-11-8-13-10/h3,6-9,12H,1,4-5H2,2H3
InChIKeyRELPOAJWUJDKTH-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342
1-pyrimidin-4-ylpent-4-enylhydrazine
CID 105221008
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
CID 63198027
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine (CID 63990208) is N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine is C=CCC(NCC)c1ccncn1.
What is the InChIKey of N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine?
The InChIKey is RELPOAJWUJDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-5-9(12-4-2)10-6-7-11-8-13-10/h3,6-9,12H,1,4-5H2,2H3.
What are the key properties of N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine?
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine is sourced from PubChem (CID 63990208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).